1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide

C20H19ClN6O — CID 71855655

IUPAC1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cn4)[nH]c3c2)cn1
InChIInChI=1S/C20H19ClN6O/c1-20(2,3)27-11-12(9-23-27)19(28)24-14-5-7-15-17(8-14)26-18(25-15)16-6-4-13(21)10-22-16/h4-11H,1-3H3,(H,24,28)(H,25,26)
InChIKeyGQIFCTAOEDOECW-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.48
Rot. Bonds3

About 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide

1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide (PubChem CID 71855655) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
PubChem CID71855655
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cn4)[nH]c3c2)cn1
InChIInChI=1S/C20H19ClN6O/c1-20(2,3)27-11-12(9-23-27)19(28)24-14-5-7-15-17(8-14)26-18(25-15)16-6-4-13(21)10-22-16/h4-11H,1-3H3,(H,24,28)(H,25,26)
InChIKeyGQIFCTAOEDOECW-UHFFFAOYSA-N
XLogP4.48
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide
CID 51123617
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
CID 122156351
2-[4-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]propanoic acid
CID 136556572
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide (CID 71855655) is 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cn4)[nH]c3c2)cn1.
What is the InChIKey of 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide?
The InChIKey is GQIFCTAOEDOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-20(2,3)27-11-12(9-23-27)19(28)24-14-5-7-15-17(8-14)26-18(25-15)16-6-4-13(21)10-22-16/h4-11H,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide?
1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide has a molecular weight of 394.87 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 71855655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).